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	hartrees
Energy at 0K	-172.972345
Energy at 298.15K	-172.980850
HF Energy	-172.149683
Nuclear repulsion energy	125.936526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3550	3366	0.13
2	A'	3270	3101	14.24
3	A'	3196	3030	5.15
4	A'	3143	2980	36.99
5	A'	1686	1598	15.49
6	A'	1547	1467	17.24
7	A'	1450	1375	17.58
8	A'	1273	1207	0.73
9	A'	1207	1145	6.02
10	A'	1078	1022	13.65
11	A'	1038	984	4.79
12	A'	879	834	103.88
13	A'	836	792	38.57
14	A'	787	747	3.24
15	A'	413	392	5.42
16	A"	3626	3438	1.42
17	A"	3257	3088	0.18
18	A"	3187	3022	16.65
19	A"	1487	1410	2.16
20	A"	1296	1229	0.89
21	A"	1222	1159	0.25
22	A"	1164	1103	0.53
23	A"	1096	1039	1.20
24	A"	933	884	11.30
25	A"	862	818	3.45
26	A"	406	385	6.39
27	A"	271	257	29.83

Atom	x (Å)	y (Å)	z (Å)
C1	-0.310	0.407	0.000
H2	-1.257	0.931	0.000
N3	0.886	1.195	0.000
C4	-0.310	-0.886	0.749
C5	-0.310	-0.886	-0.749
H6	0.924	1.783	0.816
H7	0.924	1.783	-0.816
H8	-1.207	-1.173	1.269
H9	-1.207	-1.173	-1.269
H10	0.597	-1.164	1.258
H11	0.597	-1.164	-1.258

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0827	1.4318	1.4944	1.4944	2.0198	2.0198	2.2171	2.2171	2.2072	2.2072
H2	1.0827		2.1599	2.1815	2.1815	2.4798	2.4798	2.4579	2.4579	3.0672	3.0672
N3	1.4318	2.1599		2.5138	2.5138	1.0068	1.0068	3.4062	3.4062	2.6881	2.6881
C4	1.4944	2.1815	2.5138		1.4983	2.9406	3.3306	1.0767	2.2278	1.0761	2.2196
C5	1.4944	2.1815	2.5138	1.4983		3.3306	2.9406	2.2278	1.0767	2.2196	1.0761
H6	2.0198	2.4798	1.0068	2.9406	3.3306		1.6323	3.6724	4.1989	2.9972	3.6179
H7	2.0198	2.4798	1.0068	3.3306	2.9406	1.6323		4.1989	3.6724	3.6179	2.9972
H8	2.2171	2.4579	3.4062	1.0767	2.2278	3.6724	4.1989		2.5388	1.8046	3.1052
H9	2.2171	2.4579	3.4062	2.2278	1.0767	4.1989	3.6724	2.5388		3.1052	1.8046
H10	2.2072	3.0672	2.6881	1.0761	2.2196	2.9972	3.6179	1.8046	3.1052		2.5151
H11	2.2072	3.0672	2.6881	2.2196	1.0761	3.6179	2.9972	3.1052	1.8046	2.5151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.628	C1	N3	H7	110.628
C1	C4	C5	59.913	C1	C4	H8	118.251
C1	C4	H10	117.408	C1	C5	C4	59.913
C1	C5	H9	118.251	C1	C5	H11	117.408
H2	C1	N3	117.732	H2	C1	C4	114.731
H2	C1	C5	114.731	N3	C1	C4	118.407
N3	C1	C5	118.407	C4	C1	C5	60.174
C4	C5	H9	118.893	C4	C5	H11	118.194
C5	C4	H8	118.893	C5	C4	H10	118.194
H6	N3	H7	108.317	H8	C4	H10	113.912
H9	C5	H11	113.912

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)